ChemSpider 2D Image | (1alpha,3beta,8xi,9xi,14xi,17xi)-26-(beta-D-Glucopyranosyloxy)-1-methyl-27-oxo-22,27-epoxyergosta-5,24-dien-3-yl beta-D-glucopyranoside | C41H64O14

(1α,3β,8ξ,9ξ,14ξ,17ξ)-26-(β-D-Glucopyranosyloxy)-1-methyl-27-oxo-22,27-epoxyergosta-5,24-dien-3-yl β-D-glucopyranoside

  • Molecular FormulaC41H64O14
  • Average mass780.938 Da
  • Monoisotopic mass780.429626 Da
  • ChemSpider ID9724328

  • defined stereocentres - 15 of 20 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1α,3β,8ξ,9ξ,14ξ,17ξ)-26-(β-D-Glucopyranosyloxy)-1-methyl-27-oxo-22,27-epoxyergosta-5,24-dien-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1α,3β,8ξ,9ξ,14ξ,17ξ)-26-(β-D-Glucopyranosyloxy)-1-methyl-27-oxo-22,27-epoxyergosta-5,24-dien-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ergosta-5,24-dien-26-one, 22,26-epoxy-3,27-bis(β-D-glucopyranosyloxy)-1-methyl-, (1α,3β,8ξ,9ξ,14ξ,17ξ)- [ACD/Index Name]
β-D-Glucopyranoside de (1α,3β,8ξ,9ξ,14ξ,17ξ)-26-(β-D-glucopyranosyloxy)-1-méthyl-27-oxo-22,27-époxyergosta-5,24-dién-3-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 928.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.3±6.0 kJ/mol
Flash Point: 276.5±27.8 °C
Index of Refraction: 1.614
Molar Refractivity: 197.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.56
ACD/KOC (pH 5.5): 302.98
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.56
ACD/KOC (pH 7.4): 302.98
Polar Surface Area: 225 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 566.3±5.0 cm3

Click to predict properties on the Chemicalize site


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